N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine

C16H22N6O — CID 126888037

IUPACN-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3nc(C)cc(C)n3)CC2)ncn1
InChIInChI=1S/C16H22N6O/c1-11-8-12(2)20-16(19-11)22-6-4-13(5-7-22)21-14-9-15(23-3)18-10-17-14/h8-10,13H,4-7H2,1-3H3,(H,17,18,21)
InChIKeyQXEZWHJKGIWRLV-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.97
Rot. Bonds4

About N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine

N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 126888037) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID126888037
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3nc(C)cc(C)n3)CC2)ncn1
InChIInChI=1S/C16H22N6O/c1-11-8-12(2)20-16(19-11)22-6-4-13(5-7-22)21-14-9-15(23-3)18-10-17-14/h8-10,13H,4-7H2,1-3H3,(H,17,18,21)
InChIKeyQXEZWHJKGIWRLV-UHFFFAOYSA-N
XLogP1.97
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888085
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888273
6-methoxy-N-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888305
6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888251
6-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888268
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
6-methoxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888329
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126887972
2-fluoro-4-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 171997060

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine (CID 126888037) is N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(NC2CCN(c3nc(C)cc(C)n3)CC2)ncn1.
What is the InChIKey of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is QXEZWHJKGIWRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-8-12(2)20-16(19-11)22-6-4-13(5-7-22)21-14-9-15(23-3)18-10-17-14/h8-10,13H,4-7H2,1-3H3,(H,17,18,21).
What are the key properties of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 314.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 126888037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).